(3-methoxy-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-methoxy-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-methoxy-4-tetradecoxyphenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate Traditional Name: N-o-anisoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester Formula: C40H57N2O6+ MolecularWeight: 661.89038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C40H57N2O6/c1-5-7-8-9-10-11-12-13-14-15-16-19-28-47-37-25-24-33(29-38(37)46-4)32-48-40(44)42(31-34-21-20-27-41(30-34)26-6-2)39(43)35-22-17-18-23-36(35)45-3/h17-18,20-25,27,29-30H,5-16,19,26,28,31-32H2,1-4H3/q+1